| SpectraBase Spectrum ID |
IMC0ZBpIfkX |
| Name |
1-Mercapto-4-methylestra-1,3,5(10)-trien-17-one |
| Alternate Name(s) |
4-Methyl-1-sulfanylestra-1,3,5(10)-trien-17-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H24OS |
| InChI |
InChI=1S/C19H24OS/c1-11-3-7-16(21)18-12(11)4-5-13-14(18)9-10-19(2)15(13)6-8-17(19)20/h3,7,13-15,21H,4-6,8-10H2,1-2H3/t13-,14+,15+,19+/m1/s1 |
| InChIKey |
GQENNTRZPRHSKS-QZNHQWIBSA-N |
| Molecular Weight |
300.460 g/mol |
| SMILES |
Sc1c2[C@@]3([C@]([C@@]4(CCC([C@]4(CC3)C)=O)[H])(CCc2c(C)cc1)[H])[H] |
| SPLASH |
splash10-0ufr-0759000000-fd0b181124c7a302240c |
| Source of Spectrum |
U-1995-1398-3 |
| Wiley ID |
767411 |
